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CHEBI:45367 - rifabutin
| Formula | C46H62N4O11 |
| Net Charge | 0 |
| Average Mass | 847.019 |
| Monoisotopic Mass | 846.44151 |
| SMILES | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O |
| InChI | InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 |
| InChIKey | ATEBXHFBFRCZMA-VXTBVIBXSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. |
| Application: | antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rifabutin (CHEBI:45367) has role antitubercular agent (CHEBI:33231) |
| rifabutin (CHEBI:45367) is a rifamycins (CHEBI:26580) |
| Synonyms | Source |
|---|---|
| Rifabutin | KEGG COMPOUND |
| Rifabutin | KEGG DRUG |
| Mycobutin (TN) | KEGG DRUG |
| 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV | ChemIDplus |
| 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S | ChemIDplus |
| 4-N-isobutylspiropiperidylrifamycin S | ChemIDplus |